2,7-ジメトキシナフタレン類 - ≥98%以上(HPLC) , CAS No.3469-26-9

CAS: 3469-26-9 Cat. No.: D135470 分子式: C₁₂H₁₂O₂ 分子量: 188.23 Beilstein Registry Number: 6(4)6570 EC番号: 222-433-6

GRADE & PURITY ≥98%(HPLC)

Synonyms

AC-24469 | J-650378 | SY030724 | NSC28991 | NSC-28991 | DS-6378 | AKOS000121467 | 2,7-DIMETHOXY NAPHTHALENE | Z54603315 | EN300-16203 | D1917 | FT-0610751 | AB00338 | MFCD00004064 | W-106714 | SCHEMBL443528 | s11908 | InChI=1/C12H12O2/c1-13-11-5-3-9-4-6-1

Storage

Room temperature

Shipped In

ノーマル

概要

2,7-ジメトキシナフタレンをマトリックスとして用い、マトリックス支援レーザー脱離イオン化法により多金属ポルフィリンの構造を調べた。また、2-アミノ-1,2,3,4-テトラヒドロナフタレン-6,7-ジオールの選択的求電子芳香族アロイル化反応によるペリアロイルナフタレン化合物の合成にも使用した。

Specifications

同義語

AC-24469 | J-650378 | SY030724 | NSC28991 | NSC-28991 | DS-6378 | AKOS000121467 | 2,7-DIMETHOXY NAPHTHALENE | Z54603315 | EN300-16203 | D1917 | FT-0610751 | AB00338 | MFCD00004064 | W-106714 | SCHEMBL443528 | s11908 | InChI=1/C12H12O2/c1-13-11-5-3-9-4-6-1

仕様と純度

≥98%以上(HPLC)

保管条件

Room temperature

入荷

ノーマル

純度

≥98%(HPLC)

名前と識別子

• パブケム・シド: 488185362
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488185362
• カノニカル・スマイル: COC1=CC2=C(C=C1)C=CC(=C2)OC
• IUPAC Name: 2,7-dimethoxynaphthalene
• InChIKey: PPKHAIRFQKFMLE-UHFFFAOYSA-N
• INCHI: 1S/C12H12O2/c1-13-11-5-3-9-4-6-12(14-2)8-10(9)7-11/h3-8H,1-2H3
• 異性体SMILES: COC1=CC2=C(C=C1)C=CC(=C2)OC
• WGKドイツ: 3
• 分子量: 188.23
• Beilstein: 6(4)6570
• Reaxy-Rn: 2044686
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2044686&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Anisoles Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Anisole - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 融点（°C）: 137-140°C
• 分子量: 188.220 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 188.084 Da
• Monoisotopic Mass: 188.084 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 163.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3469-26-9, the molecular formula is C12H12O2, and the molecular weight is 188.23 g/mol. InChIKey PPKHAIRFQKFMLE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.